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. 2019 Aug 11;133:110758. doi: 10.1016/j.fct.2019.110758

Table 2.

24 compounds with potential interaction with Keap1.

Classification PubChem CID Name Total_Score C_score Interactive Amino Acids
Anthocyanins 441688 Cyanidin 3,5-O-diglucoside 7.6511 3 Y334/S363/S508
Anthocyanins 6602304 Cyanidin 3-sambubioside 7.5814 4 S363/S602/S555/N414
Flavones 5280704 Apigenin 7-glucoside 6.0261 5 S363/S602
Flavones 5282150 Apigenin 7-O-neohesperidoside 6.7040 3 Y334/S363/S383/P384/S602
Flavones 12304093 Apigenin-7-O-glucoside 7.9129 4 Y334/S363
Flavones 9851181 Apigenin-7-O-rutinoside 8.0012 5 S363/P384/D385/N414/S602
Flavones 15559460 Luteolin-5-O-glucoside 6.6892 5 S363/N414/S602
Flavonols 5280805 Rutin 6.4747 4 S363/S508/S602
Flavonols 5318645 Isorhamnetin-3-O-glucoside 6.2842 4 S363/N414/S555/S602
Flavonols 17751019 Isorhamnetin-3-O-rutinoside 6.0438 3 S363/N414/S508/S602
Phenylethanoid glycosides 5281771 Echinacoside 9.3402 4 S363/P384/Y572
Phenylethanoid glycosides 16091519 Ternstroside A 8.9184 5 S363/N414/S508/S555/S602
Phenylethanoid glycosides 16091522 Ternstroside D 8.6565 5 S363/S602
Phenylethanoid glycosides 23958169 Isoforsythoside A 8.2334 4 S508/S555/S602
Phenylethanoid glycosides 6476333 Isoacteoside 8.1776 4 Y334/S555
Phenylethanoid glycosides 5281773 Forsythiaside A 8.1038 4 L365/I416/V463/S602
Phenylethanoid glycosides 16091521 Ternstroside C 8.0685 3 S363/N382/S383/D385/S508/Y572
Phenylethanoid glycosides 5281800 Acteoside 7.4971 5 Y334/S363/N382/N414/I416/L557/S602
Tocopherols 92094 δ-tocopherol 6.9734 3 S363
Tocopherols 14985 α-tocopherol 6.7759 3 Y572
Tocopherols 92729 γ-tocopherol 6.7727 3 S363
Tocopherols 5282347 α-tocotrienol 6.6725 4 None
Tocopherols 5282349 γ-tocotrienol 6.1956 2 S555
Tocopherols 6857447 β-tocopherol 6.0103 5 S363

D: aspartic acid; I, isoleucine; L, leucine; N, asparagine; P, proline; S, serine; V, valine; Y, tyrosine.